I have done my Ph.D. in Molecular Spectroscopy from Annamali University. Mainly we have done vibrational spectroscopic studies such as FT-IR, FT-Raman, UV and NMR then NBO analysis, HOMO-LUMO studies, TED, PES and MEP. All the studies were performed in organic as well as some synthesized compounds. At present I have eight international and one national publications in peer reviewed journals.
Important Publications
.Molecular Structure, vibrational Spectroscopic (FT-IR, FT-Raman, UV and NBO analysis of 2-Chlorobenzonitrile by density functional method.Akhil R. Krishnan, H. Saleem, S. Subashchandrabose, N. Sundaraganesan, S. Sebastain, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 78, Issue 2, Pages 582-589, February 2011.
Density Functional Theory studies on 2,5-BIS (4-Hydroxy-3-Methoxybenzylidene)-Cyclopentanone. H.Saleem, Akhil R Krishnan, Y.Erdogdu, S.SubashChandrabose, V.Thanikachalam, G.Manikandan, Journal of Molecular Structure 999 (2011) 2-9.
Theoretical Investigations on the Molecular Structure, Vibrational Spectra, Infrared, Raman, UV, and NMR Spectral Analysis of 4-Nitrothioanisole. Akhil R Krishnan, S.Subashchandrabose, H.Saleem, N.Sundaraganesan, Y.Erdogdu, Strustural Chemistry Communications, Vol.1, No.2 56-62,2010.
FT-IR, FT-Raman, NMR Spectral Analysis and Theoretical NBO,HOMO-LUMO analysis of Bis (4-amino-5-mercapto-1,2,4-triazol-3-yl) ethane by ab initio HF and DFT methods. S.Subash chandrabose, Akhil R Krishnan, H.Saleem, V.Thanikachalam, G.Manikandan, Yusuf Erdogdu, Journal of Molecular Structure 981 59-70, 2010.
Synthesis and Comparison of Bis (4-Amino-5-Mercapto-1,2,4-Triazol-3-Yl) Butane using DFT Study, . S.Subash chandrabose, Akhil R Krishnan, H.Saleem, S.Kavitha, V.Thanikachalam, G.Manikandan, Journal of Molecular Structure 996,1-11, 2011.
